Information card for entry 4114284

Structure parameters

• Common name: [Mo2(DAniF)3]2Zn(OCH3)4(PF6),4(CH2Cl2)
• Formula: C98 H110 Cl8 F6 Mo4 N12 O16 P Zn
• Calculated formula: C98 H110 Cl8 F6 Mo4 N12 O16 P Zn
• Title of publication: Fully Localized Mixed-Valence Oxidation Products of Molecules Containing Two Linked Dimolybdenum Units: An Effective Structural Criterion
• Authors of publication: F. Albert Cotton; Naresh S. Dalal; Chun Y. Liu; Carlos A. Murillo; J. Micah North; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12945 - 12952
• a: 13.8487 ± 0.0003 Å
• b: 13.8487 ± 0.0003 Å
• c: 57.189 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10968.1 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 9
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No